8-Fluoro-2,2-dimethylchroman-4-one - CAS 885266-62-6

Catalog:	BB038910
Product Name:	8-Fluoro-2,2-dimethylchroman-4-one
CAS:	885266-62-6
Synonyms:	8-fluoro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one; 8-fluoro-2,2-dimethyl-3H-chromen-4-one

Technical Data

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Computed Properties

IUPAC Name:	8-fluoro-2,2-dimethyl-3H-chromen-4-one
Description:	8-Fluoro-2,2-dimethylchroman-4-one (CAS# 885266-62-6) is a useful research chemical compound.
Molecular Weight:	194.20
Molecular Formula:	C11H11FO2
Canonical SMILES:	CC1(CC(=O)C2=C(O1)C(=CC=C2)F)C
InChI:	InChI=1S/C11H11FO2/c1-11(2)6-9(13)7-4-3-5-8(12)10(7)14-11/h3-5H,6H2,1-2H3
InChI Key:	AZYHMVLQDDDWCY-UHFFFAOYSA-N
Appearance:	Solid
LogP:	2.56950

Publication Number	Title	Priority Date
CA-2737768-A1	Trpv1 antagonists	20081017
CA-2737775-A1	Trpv1 antagonists	20081017
EP-2352726-A1	Trpv1 antagonists	20081017
EP-2352727-A1	Trpv1 antagonists	20081017
MX-2011004081-A	TRPV1 ANTAGONISTS.	20081017

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.07430775
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.07430775
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1